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20202023
most citedGenerating 3D Molecules for Target Protein Binding

46 citations · 68 across the 8 of their papers we have counts for

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5 papers · 1 filter

cs.LG2022

Learning Large Causal Structures from Inverse Covariance Matrix via Sparse Matrix Decomposition

Shuyu Dong, Kento Uemura, Akito Fujii +4

Learning causal structures from observational data is a fundamental problem facing important computational challenges when the number of variables is large. In the context of linea…

cs.LG2022★ 9 cited

Automated Data Augmentations for Graph Classification

Youzhi Luo, Michael McThrow, Wing Yee Au +4

Data augmentations are effective in improving the invariance of learning machines. We argue that the core challenge of data augmentations lies in designing data transformations tha…

cs.LG2021

Inter-domain Multi-relational Link Prediction

Luu Huu Phuc, Koh Takeuchi, Seiji Okajima +4

Multi-relational graph is a ubiquitous and important data structure, allowing flexible representation of multiple types of interactions and relations between entities. Similar to o…

cs.LG2021

Bermuda Triangles: GNNs Fail to Detect Simple Topological Structures

Arseny Tolmachev, Akira Sakai, Masaru Todoriki +1

Most graph neural network architectures work by message-passing node vector embeddings over the adjacency matrix, and it is assumed that they capture graph topology by doing that.…

cs.LG2020★ 2 cited

Linear Tensor Projection Revealing Nonlinearity

Koji Maruhashi, Heewon Park, Rui Yamaguchi +1

Dimensionality reduction is an effective method for learning high-dimensional data, which can provide better understanding of decision boundaries in human-readable low-dimensional…